ethyl 5-methoxy-1-methyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-1-methyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]indole-2-carboxylate Openeye Name: ethyl 5-methoxy-1-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]indole-2-carboxylate CAS Name: 5-methoxy-1-methyl-3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-1-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]indole-2-carboxylate Traditional Name: 5-methoxy-1-methyl-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]indole-2-carboxylic acid ethyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)C=CC(=C2)OC)NC(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H28N4O4/c1-5-28-20(26)19-18(15-12-14(27-4)6-7-16(15)23(19)3)21-17(25)13-24-10-8-22(2)9-11-24/h6-7,12H,5,8-11,13H2,1-4H3,(H,21,25)/p+1